| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:51:59 UTC |
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| Update Date | 2025-03-24 21:22:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01758805 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C46H77N3O35 |
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| Molecular Mass | 1231.4338 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(OC3CC(O)C(NC(C)=O)C(OC(C(O)CO)C(O)CO)C3O)OC(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | PQPRTMDNLVEDGI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanesacetamidescarbonyl compoundscarboxylic acid orthoesterscarboxylic acidscyclitols and derivativescyclohexanolsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsortho estersoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary carboxylic acid amides |
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| Substituents | carbonyl groupethercarboxylic acidortho estermonosaccharidecarboxylic acid orthoestercarboxylic acid derivativepyran carboxylic aciddialkyl etherorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorthocarboxylic acid derivativeoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativescyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundmeta-dioxane |
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